SCHEMBL10657357

SCHEMBL10657357

O=C(O)COc1ccc([N+](=O)[O-])c(/C=C2/NC(=O)NC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 1/20 0.43
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
XDH P47989 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10657362 1.00 MAPT (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10657374 1.00 MAPT (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10656094 0.88 HPGD (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10656100 0.88 HPGD (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10657191 0.87 HPGD (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10657188 0.87 HPGD (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10757983 0.85 MAPT (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10757993 0.85 MAPT (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10656351 0.83 MAPT (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10656355 0.83 MAPT (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 US disclosed